5-methyl-4-nitro-2-(4-nitrophenyl)pyrazolidin-3-one; 2,4,6-trinitrophenol

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)pyrazolidin-3-one; 2,4,6-trinitrophenol Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)pyrazolidin-3-one; picric acid CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-3-pyrazolidinone; 2,4,6-trinitrophenol IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)pyrazolidin-3-one; 2,4,6-trinitrophenol Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)pyrazolidin-3-one; picric acid Formula: C16H13N7O12 MolecularWeight: 495.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O5.C6H3N3O7/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6,9,11H,1H3;1-2,10H